SCHEMBL3565379

SCHEMBL3565379

CCOC(=O)c1cc2ccc(C(F)C(=O)NCc3ccc(Cl)cc3)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 2/20 0.39
EPHX2 P34913 2/20 0.39
OPRM1 P35372 1/20 0.39
PTPN2 P17706 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MAOB P27338 1/20 0.37
KLKB1 P03952 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3572720 0.86 HDAC1 (0.42) KMT2AOPRM1SMN1; SMN2MEN1RAB9A
SCHEMBL3568906 0.79 PTPN2 (0.46) PTPN2SMN1; SMN2RAB9AMAPT
SCHEMBL3570193 0.78 PTPN2 (0.46) KMT2APTPN2SMN1; SMN2MEN1RAB9A
SCHEMBL3574611 0.76 HDAC1 (0.52)
SCHEMBL16595447 0.76 ALOX15 (0.51) LMNAPTPN2SMN1; SMN2RAB9AMAPT
SCHEMBL29559740 0.76 ALOX15 (0.51) LMNAPTPN2SMN1; SMN2RAB9AMAPT
SCHEMBL3564897 0.76 PTPN2 (0.43) PTPN2SMN1; SMN2RAB9AMAPT
SCHEMBL3500539 0.74 MAPT (0.50) PTPN2SMN1; SMN2RAB9AMAPTTRPM8
SCHEMBL3567060 0.74 HDAC1 (0.45) OPRM1
SCHEMBL8232873 0.74 HDAC1 (0.52)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 EP disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 LMNA 3103/4885THRB 599/4885KMT2A 27/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 LMNA 3991/4885THRB 1461/4885KMT2A 62/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.